[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol

C8H15F2NO — CID 169131286

IUPAC[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
SMILESC[C@]1(CO)CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c1-8(6-12)3-2-4-11(8)5-7(9)10/h7,12H,2-6H2,1H3/t8-/m1/s1
InChIKeyYCDWKOWITCSDHX-MRVPVSSYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds3

About [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol

[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol (PubChem CID 169131286) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
PubChem CID169131286
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
SMILESC[C@]1(CO)CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c1-8(6-12)3-2-4-11(8)5-7(9)10/h7,12H,2-6H2,1H3/t8-/m1/s1
InChIKeyYCDWKOWITCSDHX-MRVPVSSYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol (CID 169131286) is [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol is C[C@]1(CO)CCCN1CC(F)F.
What is the InChIKey of [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is YCDWKOWITCSDHX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(6-12)3-2-4-11(8)5-7(9)10/h7,12H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 169131286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).